[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

C17H25N3O2 — CID 110398802

IUPAC[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CN2CCN(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-15-3-2-4-16(13-15)14-18-5-7-19(8-6-18)17(21)20-9-11-22-12-10-20/h2-4,13H,5-12,14H2,1H3
InChIKeySDJUSRGRHXNMNP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.56
Rot. Bonds2

About [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 110398802) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID110398802
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CN2CCN(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-15-3-2-4-16(13-15)14-18-5-7-19(8-6-18)17(21)20-9-11-22-12-10-20/h2-4,13H,5-12,14H2,1H3
InChIKeySDJUSRGRHXNMNP-UHFFFAOYSA-N
XLogP1.56
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 3817099
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
[4-(aminomethyl)oxan-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938039
N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 59826289
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23885384
5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide
CID 86776999
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 55578358
4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide
CID 9319675
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 110398802) is [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is Cc1cccc(CN2CCN(C(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is SDJUSRGRHXNMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-15-3-2-4-16(13-15)14-18-5-7-19(8-6-18)17(21)20-9-11-22-12-10-20/h2-4,13H,5-12,14H2,1H3.
What are the key properties of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110398802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).